CBKinase1_008567
TL;DR: CBKinase1_008567 (CAS 336180-88-2) is a chemical compound with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: CBKinase1_008567, CBKinase1_020967, BRD-K98532489-001-01-8, 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]thio}-6-(methylthio)-5-pyrimidinecarbonitrile, 2-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C15H14N4O2S2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.63598 |
| Topological Polar Surface Area | 101.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.05582 |
| Heavy Atoms | 23 |
| Complexity | 757.30756 |
Chemical Identifiers
| CAS Number | 336180-88-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC(=NC(=C2C#N)SC)N |
Product Overview
CBKinase1_008567 (CAS 336180-88-2), with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol. IUPAC: 2-amino-4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of CBKinase1_008567
Property Insights of CBKinase1_008567
The XLogP value of 2.63598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008567. The TPSA of 101.89 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008567. Following Lipinski's Rule of Five, CBKinase1_008567 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008567?
The CAS number of CBKinase1_008567 is 336180-88-2.
What is the molecular formula of CBKinase1_008567?
The molecular formula of CBKinase1_008567 is C15H14N4O2S2.
What is the molecular weight of CBKinase1_008567?
The molecular weight of CBKinase1_008567 is 346.06 g/mol.
Where can I buy CBKinase1_008567?
You can request a quote for CBKinase1_008567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008567?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.